N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O — CID 119736297

IUPACN-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CCc1ccccc1)C(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-3-23(14-11-16-7-5-4-6-8-16)19(25)18-15(2)24(22-21-18)17-9-12-20-13-10-17;/h4-8,17,20H,3,9-14H2,1-2H3;1H
InChIKeyXVHHNHOBQJRWCK-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.64
Rot. Bonds6

About N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119736297) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119736297
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC NameN-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CCc1ccccc1)C(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-3-23(14-11-16-7-5-4-6-8-16)19(25)18-15(2)24(22-21-18)17-9-12-20-13-10-17;/h4-8,17,20H,3,9-14H2,1-2H3;1H
InChIKeyXVHHNHOBQJRWCK-UHFFFAOYSA-N
XLogP2.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119754980
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698748
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683395
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179
N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119783777
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119672592
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119736297) is N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCN(CCc1ccccc1)C(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XVHHNHOBQJRWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-3-23(14-11-16-7-5-4-6-8-16)19(25)18-15(2)24(22-21-18)17-9-12-20-13-10-17;/h4-8,17,20H,3,9-14H2,1-2H3;1H.
What are the key properties of N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119736297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).